| [28c025] | 1 | /* | 
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|  | 2 | * Project: MoleCuilder | 
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|  | 3 | * Description: creates and alters molecular systems | 
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|  | 4 | * Copyright (C)  2012 University of Bonn. All rights reserved. | 
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|  | 5 | * | 
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|  | 6 | * | 
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|  | 7 | *   This file is part of MoleCuilder. | 
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|  | 8 | * | 
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|  | 9 | *    MoleCuilder is free software: you can redistribute it and/or modify | 
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|  | 10 | *    it under the terms of the GNU General Public License as published by | 
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|  | 11 | *    the Free Software Foundation, either version 2 of the License, or | 
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|  | 12 | *    (at your option) any later version. | 
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|  | 13 | * | 
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|  | 14 | *    MoleCuilder is distributed in the hope that it will be useful, | 
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|  | 15 | *    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
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|  | 16 | *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
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|  | 17 | *    GNU General Public License for more details. | 
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|  | 18 | * | 
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|  | 19 | *    You should have received a copy of the GNU General Public License | 
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|  | 20 | *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>. | 
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|  | 21 | */ | 
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|  | 22 |  | 
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|  | 23 | /* | 
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|  | 24 | * SamplingGrid.cpp | 
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|  | 25 | * | 
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|  | 26 | *  Created on: 25.07.2012 | 
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|  | 27 | *      Author: heber | 
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|  | 28 | */ | 
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|  | 29 |  | 
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|  | 30 | // include config.h | 
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|  | 31 | #ifdef HAVE_CONFIG_H | 
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|  | 32 | #include <config.h> | 
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|  | 33 | #endif | 
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|  | 34 |  | 
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|  | 35 | // include headers that implement a archive in simple text format | 
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|  | 36 | // otherwise BOOST_CLASS_EXPORT_IMPLEMENT has no effect | 
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|  | 37 | #include <boost/archive/text_oarchive.hpp> | 
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|  | 38 | #include <boost/archive/text_iarchive.hpp> | 
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|  | 39 |  | 
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|  | 40 | #include "CodePatterns/MemDebug.hpp" | 
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|  | 41 |  | 
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| [fbf143] | 42 | #include "Fragmentation/Summation/SetValues/SamplingGridProperties.hpp" | 
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| [28c025] | 43 |  | 
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|  | 44 | SamplingGridProperties::SamplingGridProperties( | 
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|  | 45 | const double _begin[3], | 
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| [3d9a8d] | 46 | const double _end[3], | 
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| [28c025] | 47 | const int _level) : | 
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|  | 48 | level(_level) | 
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|  | 49 | { | 
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| [3d9a8d] | 50 | for(size_t i=0; i<3; ++i) { | 
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| [28c025] | 51 | begin[i] = _begin[i]; | 
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| [3d9a8d] | 52 | end[i] = _end[i]; | 
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|  | 53 | } | 
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| [28c025] | 54 | } | 
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|  | 55 |  | 
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|  | 56 | SamplingGridProperties::SamplingGridProperties(const SamplingGridProperties &_props) : | 
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|  | 57 | level(_props.level) | 
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|  | 58 | { | 
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| [3d9a8d] | 59 | for(size_t i=0; i<3; ++i) { | 
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| [28c025] | 60 | begin[i] = _props.begin[i]; | 
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| [3d9a8d] | 61 | end[i] = _props.end[i]; | 
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|  | 62 | } | 
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| [28c025] | 63 | } | 
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|  | 64 |  | 
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|  | 65 | SamplingGridProperties::SamplingGridProperties() : | 
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|  | 66 | level(0) | 
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|  | 67 | { | 
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| [3d9a8d] | 68 | for(size_t i=0; i<3; ++i) { | 
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| [28c025] | 69 | begin[i] = 0.; | 
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| [3d9a8d] | 70 | end[i] = 0.; | 
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|  | 71 | } | 
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| [28c025] | 72 | } | 
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|  | 73 |  | 
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|  | 74 | SamplingGridProperties::~SamplingGridProperties() | 
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|  | 75 | {} | 
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|  | 76 |  | 
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| [3d9a8d] | 77 | SamplingGridProperties& SamplingGridProperties::operator=(const SamplingGridProperties& other) | 
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|  | 78 | { | 
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|  | 79 | // check for self-assignment | 
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|  | 80 | if (this != &other) { | 
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|  | 81 | for(size_t index=0; index<3; ++index) { | 
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|  | 82 | begin[index] = other.begin[index]; | 
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|  | 83 | end[index] = other.end[index]; | 
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|  | 84 | } | 
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|  | 85 | level = other.level; | 
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|  | 86 | } | 
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|  | 87 | return *this; | 
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|  | 88 | } | 
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|  | 89 |  | 
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| [c889b7] | 90 | bool SamplingGridProperties::operator==(const SamplingGridProperties &_props) const | 
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|  | 91 | { | 
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|  | 92 | bool status = true; | 
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| [3d9a8d] | 93 | for (size_t i=0; i<3; ++i) { | 
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| [c889b7] | 94 | status &= begin[i] == _props.begin[i]; | 
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| [3d9a8d] | 95 | status &= end[i] == _props.end[i]; | 
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|  | 96 | } | 
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| [c889b7] | 97 | status &= level == _props.level; | 
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|  | 98 | return status; | 
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|  | 99 | } | 
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|  | 100 |  | 
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| [28c025] | 101 | // we need to explicitly instantiate the serialization functions as | 
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|  | 102 | // its is only serialized through its base class FragmentJob | 
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|  | 103 | BOOST_CLASS_EXPORT_IMPLEMENT(SamplingGridProperties) | 
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